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A DFT+U study of carbon nanotubes under influence of a gate voltage
PublikacjaA possibility of appearance of antiferromagnetic ordering in armchair carbon nanotubes and graphene is studied using density functional theory within a DFT+U approach. It is shown that the Coulomb repulsion between electrons in the -orbitals of graphene would need to reach a threshold value of ,...
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Co-simulation strategy of transient CFD and heat transfer in building thermal envelope based on calibrated heat transfer coefficients
PublikacjaThe paper presents a strategy to develop a fully transient numerical model of a heat transfer in building, using a transient CFD model of indoor air and a thermal envelope model, running in a co-simulation. The strategy relies on the utilization of RANS with a high-Re turbulence model and a wall function, which enables to use a coarse computational mesh limiting the computational time. Since wall functions give invalid heat transfer...
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Tailoring of SiOC composition as a way to better performing anodes for Li-ion batteries
PublikacjaPolymer derived silicon oxycarbide (SiOC) ceramics are investigated as potential anodes for lithiumion batteries. Different SiOC ceramics are prepared by pyrolysis (1000 °C and 1400 °C under controlled argon atmosphere) of polysiloxanes ceramic precursors. Preceramic polymers are synthesized using the sol–gel method. Phenyltriethoxysilane (PhTES) and methyltriethoxysilane (MTES) have been used as starting precursors and mixed with...
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Curing characteristics, mechanical properties and morphology of butyl rubber filled with ground tire rubber (GTR)
PublikacjaThe results on testing application of ground tire rubber (GTR), as potential filler for butyl rubber, are pre- sented. The GTR content variation, within the range of 10–90 phr, was studied with respect to the vulcanization process, static mechanical properties (tensile strength, elongation-at-break, hardness and resilience), dynamic mechanical properties and the morphology of the obtained vulcanizates. Butyl rubber was characterized...
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Novel nitrogen precursors for electrochemically driven doping of titania nanotubes exhibiting enhanced photoactivity
PublikacjaNitrogen doped titania nanotubes were successfully sensitized by electrochemical method, i.e. as-anodized titania was immersed in different amine (diethyleneamine-DETA, triethyleneamine-TEA, ethylenediamine-EDA) and urea (U) solution and a constant potential was applied. The highly ordered morphology of fabricated N-TiO2 was investigated by using scanning electron microscopy. Spectroscopic techniques, i.e. UV-Vis spectroscopy,...
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Effect of ground tire rubber on structural, mechanical and thermal properties of flexible polyurethane foams
PublikacjaFlexible polyurethane foams were modified with two kinds of ground tire rubber, untreated and thermo-mechanically reclaimed. A reclamation process was performed in auto-thermal conditions, which reduced the cost of the process and decreased the environmental impact of devulcanization (e.g., emission of gases). The reclamation process was carried out in a continuous manner using a co-rotating twin screw extruder. The foams were...
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A LUMPED-CIRCUIT MODEL OF CIRCULAR PISTON TRANSDUCER FOR MODELING ITS PERFORMANCE IN DUAL FREQUENCY OPERATING MODES
PublikacjaThe paper presents novel network equivalent circuit of piezoceramic circular disc transducer that takes into account thickness and ra dial mode of vibrations. The starting point of the analysis is 4-port description of circular disc element representing the solution of wave equation set in radial and thickness directions. Th e approximate solution for harmonic case is represented in the form of 4x4 matrix, which is syn thesized...
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Enhancing colloidal stability of nanodiamond via surface modification with dendritic molecules for optical sensing in physiological environments
PublikacjaPre-treatment of diamond surface in low-temperature plasma for oxygenation and in acids for carboxylation was hypothesized to promote the branching density of the hyperbranched glycidol polymer. This was expected to increase the homogeneity of the branching level and suppress interactions with proteins. As a result, composite nanodiamonds with reduced hydrodynamic diameters that are maintained in physiological environments were...
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Multifaceted Analyses of Four Different Prototype Lightweight Photovoltaic Modules of Novel Structure
PublikacjaDynamic growth of photovoltaic capacity in Poland encourages many entities to invest in photovoltaic systems. However, in the case of buildings with low roof-bearing capacity it can be problematic or even impossible to mount conventional PV modules due to their relatively high weight. Hence, the use of lightweight PV modules is a potential solution. In this paper four different prototype silicon lightweight modules of novel structure...
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Numerical analysis of vacuum drying of a porous body in the integrated domain
Publikacjan the present study, the vacuum drying process of an apple slice is numerically modeled based on a control volume method. Transient two-dimensional Navier– Stokes, energy, moisture, and Luikov equations are solved by numerical coding (Fortran) to simulate the simultaneous heat and mass transfer in the ambient and apple slice, respectively. The privilege of using Luikov's model is that the capillary forces are considered, and a...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublikacjaThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Application of shifted Chebyshev polynomial-based Rayleigh–Ritz method and Navier’s technique for vibration analysis of a functionally graded porous beam embedded in Kerr foundation
PublikacjaPresent study is dealt with the applicability of shifted Chebyshev polynomial based Rayleigh-Ritz method and Navier’s technique on free vibration of Functionally Graded (FG) beam with uniformly distributed porosity along the thickness of the beam. The material properties such as Young’s modulus, mass density, and Poisson’s ratio are also considered to vary along the thickness of the FG beam as per the power-law exponent model....
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Carbon nanoarchitectures as high-performance electrodes for the electrochemical oxidation of landfill leachate
PublikacjaNanomaterials and assemblies of the aforementioned into complex architectures constitute an opportunity to design efficient and selective solutions to wide spread and emerging environmental issues. The limited disposal of organic matter in modern landfills generates extremely concentrated leachates characterised by high concentrations of refractory compounds. Conventional biochemical treatment methods are unsuitable, while advanced...
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Hybrid P3HT: PCBM/GaN nanowire/Si cascade heterojunction for photovoltaic application
PublikacjaPoly(3-hexylthiophene) (P3HT) and phenyl-C61-butyric acid methyl ester (PCBM) are commonly used for the fabrication of organic photovoltaics (OPV). Efficiency limitations of OPVs could be circumvented by incorporation of inorganic nanostructures into organic blends. Again, integration of organic solar cells with well-developed silicon photovoltaic technology is ultimately desirable. In present work, GaN nanowires with diameters...
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Experimental and Numerical Investigation of Mechanical Properties of Lightweight Concretes (LWCs) with Various Aggregates
PublikacjaHigh requirements for the properties of construction materials and activities directed at environment protection are reasons to look for new solutions in concrete technology. This research was directed at solutions affecting the reduction of energy consumption and CO2 emissions. The use of lightweight concretes (LWCs) allows one to meet both conditions at the same time. The purpose of the research presented in this paper was to...
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Nitrogen-incorporated boron-doped diamond films for enhanced electrochemical supercapacitor performance
PublikacjaThe electrochemical (EC) supercapacitor, known for its rapid charging, reliability, and versatile applications, demands optimized electrode characteristics and an understanding of their electrochemical behaviour. Although boron-doped diamond (BDD) holds promise as a supercapacitor electrode, a crucial gap exists in comprehending its material behaviour under specific growth conditions. Here, nitrogen-incorporated BDD (N-BDD) films...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Influence of Ultrasound on the Characteristics of CaP Coatings Generated Via the Micro-arc Oxidation Process in Relation to Biomedical Engineering
PublikacjaOver the past decade, bone tissue engineering has been at the core of attention because of an increasing number of implant surgeries. The purpose of this study was to obtain coatings on titanium (Ti) implants with improved properties in terms of biomedical applications and to investigate the effect of ultrasound (US) on these properties during the micro-arc oxidation (MAO) process. The influence of various process parameters, such...
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Preparation and properties of composite coatings, based on carbon nanotubes, for medical applications
PublikacjaThe coatings based on carbon nanotubes (CNTs) are increasingly developed for their applications, among others, in medicine, in particular for implants in implantology, cardiology, and neurology. The present review paper aims at a detailed demonstration of diferent preparation methods for such coatings, their performance, and relationships between deposition parameters and microstructure and material, mechanical, physical, chemical,...
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublikacjaIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
PublikacjaTwo-dimensional (2D) van der Waals (vdW) magnetic 3d-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report the synthesis and electromagnetic characterization of single-crystalline vanadium trichloride, VCl 3 , a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at...
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Plant-based meat substitute analysis using microextraction with deep eutectic solvent followed by LC-MS/MS to determine acrylamide, 5-hydroxymethylfurfural and furaneol
PublikacjaFor the analysis of plant-based meat substitutes and the determination of Maillard reaction products such as acrylamide, 5-hydroxymethylfurfural and furaneol, a novel and effective procedure based on hydrophobic natural deep eutectic solvent and liquid chromatography coupled with tandem mass spectrometry was developed for the first time. The 49 compositions of the deep eutectic solvents were designed and screened to select the...
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Green monoterpenes based deep eutectic solvents for effective BTEX absorption from biogas
PublikacjaThe combustion of biogas which contains significant amounts of monoaromatic hydrocarbons, i.e. benzene, ethylbenzene, toluene, and xylene (BTEX) can cause many technological, environmental, and health problems. Therefore, in these studies, a new physical absorption method based on deep eutectic solvents (DES) consisting of monoterpenes and carboxylic acids was developed for BTEX removal. A total of 39 DES were synthesized, of which...
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Possible quadrupole-order-driven commensurate-incommensurate phase transition in B20 CoGe
PublikacjaThe B20-type cobalt germanide CoGe was investigated by measuring the specific heat, resistivity, and 59Co nuclear magnetic resonance (NMR).We observed a phase transition at TQ = 13.7 K, evidenced by a very narrow peak of the specific heat and sharp changes of the nuclear spin-spin (T −1 2 ) and spin-lattice (T −1 1 ) relaxation rates. The fact that the entropy release is extremely small and the Knight shift is almost independent...
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Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
PublikacjaCysteine–water cluster cations Cys(H2O)3,6 + and Cys(H2O)3,6H+ are assembled in He droplets and probed by tandem mass spectrometry with collision-induced activation. Benchmark experimental data for this biologically important system are complemented with theory to elucidate the details of the collisioninduced activation process. Experimental energy thresholds for successive release of water are compared to water dissociation energies...
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Modeling of Surface Roughness in Honing Processes by UsingFuzzy Artificial Neural Networks
PublikacjaHoning processes are abrasive machining processes which are commonly employed to improve the surface of manufactured parts such as hydraulic or combustion engine cylinders. These processes can be employed to obtain a cross-hatched pattern on the internal surfaces of cylinders. In this present study, fuzzy artificial neural networks are employed for modeling surface roughness parameters obtained in finishing honing operations. As...
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Environmentally Friendly Fabrication of High-Efficient Fe-ZnO/Citric Acid-Modified Cellulose Composite and the Enhancement of Photocatalytic Activity in the Presence of H2O2
PublikacjaIn the present study, a novel Fe-ZnO/citric acid-modified cellulose composite (x%Fe-ZnOy% CAC) was synthesized using an environmentally friendly hydrothermal method. The obtained samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV−vis diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectroscopy (FTIR), nitrogen physisorption, and electrochemical and photocurrent density...
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublikacjaPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Hybrid metal and non-metal activation of Oxone by magnetite nanostructures co-immobilized with nano-carbon black to degrade tetracycline: Fenton and electrochemical enhancement with bio-assay
PublikacjaElectrochemically synthesized magnetite nanostructures (ESMNPs) as a metal activator and nano-carbon black (NCB) as a non-metal activator were co-immobilized by alginate natural polymer to activate Oxone for the degradation of tetracycline (TC) antibiotic. The formation of sulfate radical was indirectly confirmed during the Oxone/ESMNPs/NCB/alginate process via the addition of scavenging compounds. This study revealed the high...
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Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′-Bipyridine and Glycine: Electrochemical and Theoretical Studies
PublikacjaA mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′-bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were...
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Electrochemical oxidation of PFOA and PFOS in landfill leachates at low and highly boron-doped diamond electrodes
PublikacjaPolyfluorinated alkyl substances (PFASs) may reach landfill leachates (LLs) due to improper waste management. In this study perfluorooctanoate (PFOA) and perfluorooctane sulphonate (PFOS) were used as representatives of PFASs in the decomposition on boron-doped diamond electrodes (BDDs) with high (10k ppm) and low (0.5k ppm) boron doping concentrations. The result shows that although better COD removal efficacies are obtained on...
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Biocomposites from recycled resources as candidates for laboratory reference material to validate analytical tools used in organic compounds emissions investigation
PublikacjaA suitably chosen reference material should meet specific criteria like representing one of the compound classes most commonly occurring in indoor materials as well as having optimal long-term stability during storage and transport to its destination point and having a compact size. The described interdisciplinary pilot research was aimed to develop and characterize a polymer-based candidate for the laboratory reference material...
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Conductive printable electrodes tuned by boron-doped nanodiamond foil additives for nitroexplosive detection
PublikacjaAn efficient additive manufacturing-based composite material fabrication for electrochemical applications is reported. The composite is composed of commercially available graphene-doped polylactide acid (G-PLA) 3D printouts and surface- functionalized with nanocrystalline boron-doped diamond foil (NDF) additives. The NDFs were synthesized on a tantalum substrate and transferred to the 3D-printout surface at 200 °C. No other electrode...
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Impedimetric sensing of α-amino acids driven by micro-patterned 1,8-Diazafluoren-9-one into titania- boron- doped maze-like nanocarbons
PublikacjaThe development of impedimetric, non-faradaic label-free sensors for the detection of α-amino acids constitutes a trailblazing technology for the fast and inexpensive quantification of such biomarkers. Since α-amino acids, such as glycine and sarcosine, are basic constituents in biological processes, a variation in their concentration may be an indicator of cardiovascular diseases and metabolic disorders or neurological conditions....
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Deciphering the Molecular Mechanism of Substrate-Induced Assembly of Gold Nanocube Arrays toward an Accelerated Electrocatalytic Effect Employing Heterogeneous Diffusion Field Confinement
PublikacjaThe complex electrocatalytic performance of gold nanocubes (AuNCs) is the focus of this work. The faceted shapes of AuNCs and the individual assembly processes at the electrode surfaces define the heterogeneous conditions for the purpose of electrocatalytic processes. Topographic and electron imaging demonstrated slightly rounded AuNC (average of 38 nm) assemblies with sizes of ≤1 μm, where the dominating patterns are (111) and...
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Experimental and Numerical Investigation of Tensile and Flexural Behavior of Nanoclay Wood-Plastic Composite
PublikacjaIn this study, the effect of wood powder and nanoclay particle content on composites’ mechanical behavior made with polyethylene matrix has been investigated. The wood flour as a reinforcer made of wood powder was at levels of 30, 40, and 50 wt.%, and additional reinforcement with nanoclay at 0, 1, 3, and 5 wt.%. Furthermore, to make a composite matrix, high-density polyethylene was used at levels of 70, 60, and 50% by weight....
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Electrochemistry from first-principles in the grand canonical ensemble
PublikacjaProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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A novel approach for processing CaAlSiON glass-ceramics by spark plasma sintering: Mechanical and electrical properties
PublikacjaLithium containing glassy materials can be used as solid electrolytes or electrode materials for lithium-ion batteries due to their high energy density. Conventional melt-quenched Ca11Al14Si16O49N10 glass powder containing 24 e/o N, doped with Li-ions (1, 3, and 6 wt. %) and sintered by spark plasma sintering technique (SPS) was studied. The benefits of using SPS to produce glass-ceramics are rapid heating rates compared to conventional...
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Mathematical Modeling of Ice Thrusting on the Shore of the Vistula Lagoon (Baltic Sea) and the Proposed Artificial Island
PublikacjaCoastal lagoons are inland and shallow water bodies, separated from the ocean by a barrier. In cold regions, ice phenomena in shallow water coastal lagoons occur every winter season. Ice is predominantly formed on the surface due to density stratification and surface cooling. The ice dynamics in such areas are dominantly affected by winds. Water dynamics also cause ice movement, but due to the large areal scale of lagoons, the...
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Cross-talk Between the Heart and Arteries in Older 65+ Adults
PublikacjaRegulatory synchronization between the heart and the arterial walls is essential for optimal blood delivery to tissues. We investigated functional coherence between heart rhythm and aortic wall compliance in 30 volunteers aged 65 – 74. ECG and carotid and iliac pulse-wave were recorded and digitized at 2 kHz. Carotid-femoral pulse-wave transit time (cfTT) which reflex aortic compliance was assessed using the intersecting tangent...
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Experimental studies on the impact of changing the pipe material on the propagation of the pressure wave during water hammer
PublikacjaAim of the paper is to present the results studying the water hammer phenomenon in pipes made of different materials, and to show the impact of changing the type of material of the pipe on the velocity of the pressure wave during the transient flow in the pipes. In terms of research material and methods, pipes made of galvanized steel and high-density polyethylene were tested. Measurements were made using strain gauges with a high...
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Effect of aeration of antibiotic-loaded bone cement on its properties and bactericidal effectiveness
PublikacjaBACKGROUND: Antibiotic-loaded bone cements are now widely used in medicine. They are able to locally deliver antibiotic particles and they allow treat or protect against infection. It is assumed that the bactericidal effectiveness of bioactive bone cements depend on the parameters of its production. Hence, the aim of this study was to check the effect of aeration of bone cement before mixing the components on its properties as...
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Electrochemical and photoelectrochemical properties of the interface between titania nanotubes covered by conducting polymer in aqueous by conducting polymer in aqueous electrolytes – The effect of various geometry and electrolytes concentration
PublikacjaIn the present work we show the impact of nanotubes (NTs) geometry of titania utilized as a substrate in organic-inorganic systems acting as a p-n junction on efficient conversion of radiation energy into electrochemical energy. The electrolytic bath composition and electrolysis conditions were controlled in order to obtain TiO2NTs of various geometry as a result of electrochemical oxidation of titanium foil. The electrode material...
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Titania nanotubes modified by a pyrolyzed metal-organic framework with zero valent iron centers as a photoanode with enhanced photoelectrochemical, photocatalytical activity and high capacitance
PublikacjaThe paper discusses the synthesis, photoelectrochemical and electrochemical behaviour of titania nanotube arrays modified by a pyrolyzed metal-organic framework (MOF). A poly(3,4–ethylenedioxyphene) (PEDOT) matrix with an embedded inorganic network of iron hexacyanoferrate (BP) covering TiO2 nanotubes (TNT) is used as a MOF for the further sintering procedure, resulting in a novel, thin film of carbonaceous wrap supported Fe catalytic...
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Cathodically activated Au/TiO2 nanocomposite synthesized by a new facile solvothermal method: An efficient electrocatalyst with Pt-like activity for hydrogen generation
PublikacjaWe report here a facile, template-free and one-step solvothermal approach for the synthesis of high-temperature stable gold/titania nanocomposite (NCs), providing a new, simple, quick and inexpensive wet-chemical route. Our approach is based on the assembly of gold salt and titanium butoxide in dimethyl sulfoxide (DMSO). Also, we present here, for the first time, a cathodically activated Au/TiO2 catalyst with Pt/C activity for...
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An Experimental Investigation of Pressure Wave Celerity During the Transient Slurry Flow
PublikacjaTransportation of slurries in pressure pipelines is an example of a complex flow due to specific parameters of transported medium. For practitioners, the economy of designing and maintenance is usually the most important factor. For this reason, most of hydrotransport installations are fairly simple; however, they become more vulnerable to negative effects of the transient flow which can occur in pressure pipelines. As the consequence,...
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Thermal and physical properties of ZrO2–AlO(OH) nanopowders synthesised by microwave hydrothermal method
PublikacjaIndustrially relevant nanopowder was synthesised by microwave hydrothermal synthesis to obtain well-controlled composition (ZrO2–AlO(OH) system) which was found to determine a number of physical and thermal characteristics. This study reports variation of particle size, density, specific surface area (SSABET), as well as thermal behaviour of nanopowder mixtures of ZrO2–AlO(OH) in the whole range of compositions. It was found that...
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Use of optical skin phantoms for calibration of dermatological lasers
PublikacjaA wide range of dermatological diseases can be efficiently treated using laser heating. Nevertheless, before the new laser is introduced into clinical practice, its parameters and ability to interact with human skin have to be carefully examined. In order to do that optical skin phantoms can be used. Such phantoms closely imitate the scattering and absorption properties of real human skin tissue along with its thermal properties,...
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Battery Technologies in Electric Vehicles: Improvements in Electric Battery Packs
PublikacjaRestrictions on fossil fuels and related environmental pollution issues motivate many organizations and countries to set their focus on electric vehicles (EVs) rather than conventional internal combustion engine vehicles [1], [2]. EVs require an energy storage system to store converted electric power in another form of energy and then reconvert the stored energy to electric power whenever it is required. The energy stored can be...
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Nanodiamonds Doped with Manganese for Applications in Magnetic Resonance Imaging
PublikacjaNanodiamonds (NDs) are emerging with great potential in biomedical applications like biomarking through fluorescence and magnetic resonance imaging (MRI), targeted drug delivery, and cancer therapy. The magnetic and optical properties of NDs could be tuned by selective doping. Therefore, we report multifunctional manganese-incorporated NDs (Mn-NDs) fabricated by Mn ion implantation. The fluorescent properties of Mn-NDs were tuned...